SCHEMBL9252563

SCHEMBL9252563

COc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.42
GABRA2 P47869 12/20 0.42
GABRB2 P47870 12/20 0.42
GABRP O00591 9/20 0.42
GABRD O14764 9/20 0.42
GABRA1 P14867 9/20 0.42
GABRB1 P18505 9/20 0.42
GABRG2 P18507 9/20 0.42
GABRA5 P31644 9/20 0.42
GABRA3 P34903 9/20 0.42
GABRA4 P48169 9/20 0.42
GABRE P78334 9/20 0.42
GABRA6 Q16445 9/20 0.42
GABRG1 Q8N1C3 9/20 0.42
GABRG3 Q99928 9/20 0.42
GABRQ Q9UN88 9/20 0.42
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8064557 0.89 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8432858 0.84 TDP1 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8047202 0.81 NPBWR1 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8434380 0.80 NR3C1 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8059782 0.76 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9206366 0.76 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8062287 0.74 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9210384 0.74 CYP11B2 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8062385 0.74 GABRA2 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9207794 0.72 MAPK1 (0.44) GABRB3GABRA2GABRB2GABRPGABRD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444038-A Arylindazoles and their use as herbicides ZENECA LIMITED (GB) 1995-08-22 US disclosed